N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine

C12H25NO3 — CID 104760691

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCOC1(CNCCOC(C)(C)C)CCOC1
InChIInChI=1S/C12H25NO3/c1-11(2,3)16-8-6-13-9-12(14-4)5-7-15-10-12/h13H,5-10H2,1-4H3
InChIKeyVBYCRIYLNDTEHD-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.20
Rot. Bonds6

About N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine

N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 104760691) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID104760691
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCOC1(CNCCOC(C)(C)C)CCOC1
InChIInChI=1S/C12H25NO3/c1-11(2,3)16-8-6-13-9-12(14-4)5-7-15-10-12/h13H,5-10H2,1-4H3
InChIKeyVBYCRIYLNDTEHD-UHFFFAOYSA-N
XLogP1.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-Dioxa-9-azaspiro[4.5]decane
CID 64246460
6,9-Dioxa-2-azaspiro[4.5]decane
CID 54007830
7-Methyl-2,6-dioxa-9-azaspiro(4.5)decane
CID 65122770
7-Ethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 65127098
1-Methyl-2,6-dioxa-9-azaspiro(4.5)decane
CID 82717591
1,7-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 82719355
((3-Ethoxyoxolan-3-yl)methyl)(methyl)amine
CID 105431249
1,1-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 130677292
7,7-Dimethyl-2,6-dioxa-9-azaspiro(4.5)decane hydrochloride
CID 146050199
Methyl(((3-(propan-2-yloxy)oxolan-3-yl)methyl))amine
CID 146082573
7,7-Dimethyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 65127257
1,1-difluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-2-amine
CID 102870037

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 104760691) is N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine is COC1(CNCCOC(C)(C)C)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is VBYCRIYLNDTEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2,3)16-8-6-13-9-12(14-4)5-7-15-10-12/h13H,5-10H2,1-4H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 231.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 104760691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).